2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline

C14H12N2O3 — CID 102703092

IUPAC2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline
SMILESCOc1ccc(N)c(Oc2nc3ccccc3o2)c1
InChIInChI=1S/C14H12N2O3/c1-17-9-6-7-10(15)13(8-9)19-14-16-11-4-2-3-5-12(11)18-14/h2-8H,15H2,1H3
InChIKeyGCZDVJZYURGGJY-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.21
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline

2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline (PubChem CID 102703092) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline
PubChem CID102703092
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline
SMILESCOc1ccc(N)c(Oc2nc3ccccc3o2)c1
InChIInChI=1S/C14H12N2O3/c1-17-9-6-7-10(15)13(8-9)19-14-16-11-4-2-3-5-12(11)18-14/h2-8H,15H2,1H3
InChIKeyGCZDVJZYURGGJY-UHFFFAOYSA-N
XLogP3.21
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline
CID 107501142
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417599
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083405
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole
CID 47053079
3-(1,3-benzoxazol-2-yloxy)-5-bromoaniline
CID 103589190
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole
CID 145224896
2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid
CID 61395834
2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
CID 61396354

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline?
The IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline (CID 102703092) is 2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline?
The canonical SMILES for 2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline is COc1ccc(N)c(Oc2nc3ccccc3o2)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline?
The InChIKey is GCZDVJZYURGGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-17-9-6-7-10(15)13(8-9)19-14-16-11-4-2-3-5-12(11)18-14/h2-8H,15H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline?
2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline has a molecular weight of 256.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline is sourced from PubChem (CID 102703092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).